2-(2-ethyl-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl)acetic acid

C10H16N2O3 — CID 117124568

IUPAC2-(2-ethyl-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl)acetic acid
SMILESCCn1[nH]c(C(C)C)c(CC(=O)O)c1=O
InChIInChI=1S/C10H16N2O3/c1-4-12-10(15)7(5-8(13)14)9(11-12)6(2)3/h6,11H,4-5H2,1-3H3,(H,13,14)
InChIKeyFGBJDHPAANLETK-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.95
Rot. Bonds4

About 2-(2-ethyl-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl)acetic acid

2-(2-ethyl-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl)acetic acid (PubChem CID 117124568) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-(2-ethyl-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-ethyl-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl)acetic acid
PubChem CID117124568
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2-(2-ethyl-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl)acetic acid
SMILESCCn1[nH]c(C(C)C)c(CC(=O)O)c1=O
InChIInChI=1S/C10H16N2O3/c1-4-12-10(15)7(5-8(13)14)9(11-12)6(2)3/h6,11H,4-5H2,1-3H3,(H,13,14)
InChIKeyFGBJDHPAANLETK-UHFFFAOYSA-N
XLogP0.95
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-fluoroethyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]acetic acid
CID 84670482
2-(2,5-dimethyl-3-oxo-1H-pyrazol-4-yl)acetic acid
CID 58125142
2-(2,5-dimethyl-3-oxo-1H-pyrazol-4-yl)butanoic acid
CID 66881197
2-(1-Amino-4-methyl-6-oxo-2,3-dihydropyridin-5-yl)acetic acid
CID 141116671
3-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)propanoic acid
CID 83856988
3-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)butanoic acid
CID 83857024
3-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-2-methylpropanoic acid
CID 83857025
3-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-2,2-dimethylpropanoic acid
CID 83857027
2-[3-(1-Methylpiperidin-4-yl)-5-oxo-1,2-dihydropyrazol-4-yl]acetic acid
CID 84081813
2-(3-Oxo-5-propan-2-yl-1,2-dihydropyrazol-4-yl)acetic acid
CID 84081815
2-[3-oxo-2,5-di(propan-2-yl)-1H-pyrazol-4-yl]acetic acid
CID 84081834
2-(2-cyclopropyl-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl)acetic acid
CID 84081835

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl)acetic acid?
The IUPAC name of 2-(2-ethyl-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl)acetic acid (CID 117124568) is 2-(2-ethyl-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(2-ethyl-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(2-ethyl-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl)acetic acid is CCn1[nH]c(C(C)C)c(CC(=O)O)c1=O.
What is the InChIKey of 2-(2-ethyl-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl)acetic acid?
The InChIKey is FGBJDHPAANLETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-4-12-10(15)7(5-8(13)14)9(11-12)6(2)3/h6,11H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 2-(2-ethyl-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl)acetic acid?
2-(2-ethyl-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl)acetic acid has a molecular weight of 212.25 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl)acetic acid is sourced from PubChem (CID 117124568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).